chempirical

5-Amino-2-methylbenzothiazole

C8H8N2SCAS 13382-43-9164.23 g/mol

Open in Covalent MOL file
NNH2S
Primary amine

Properties

Molecular formula
C8H8N2S
Molar mass
164.23 g/mol
Exact mass
164.0408 Da
Melting point
102 °C
logP
2.19Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
13382-43-9
SMILES
Cc1nc2cc(N)ccc2s1
InChIKey
GPWQHYMVUZYWIK-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2S/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 5-Benzothiazolamine, 2-methyl-
  • Benzothiazole, 5-amino-2-methyl-
  • 2-Methyl-5-benzothiazolamine
  • 2-Methyl-5-aminobenzothiazole
  • 2-Methylbenzothiazol-5-ylamine
  • 2-Methyl-1,3-benzothiazol-5-amine
  • 2-Methylbenzo[d]thiazol-5-amine

Work with 5-Amino-2-methylbenzothiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethylbenzothiazole95-26-163 % similar 5-Chloro-2-methylbenzothiazole1006-99-159 % similar 5-Fluoro-2-methylbenzothiazole399-75-759 % similar 5-Bromo-2-methylbenzothiazole63837-11-659 % similar 2-Methyl-5-phenylbenzothiazole71215-89-957 % similar 5-Methoxy-2-methylbenzothiazole2941-69-756 % similar 2-Methylbenzothiazole120-75-253 % similar 2,5,6-Trimethylbenzothiazole5683-41-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-4-methylbenzothiazole1477-42-5 5-Methyl-2-benzothiazolamine14779-17-0 2-Amino-6-methylbenzothiazole2536-91-6 2-Mercapto-5-methylbenzimidazole27231-36-3 2-Mercapto-4,6-dimethylnicotinonitrile54585-47-6 2-(Methylthio)benzimidazole7152-24-1

Elsewhere

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